COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044448
Chemical Name: 2,6-dimethoxy-4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2n[nH+]c(s2)SCc2ccc(cc2)C)cc(c1[O-])OC

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Molecular Weight: 490.63
Empirical Formula: C21H22N4O4S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.94
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 188
Number of rings: 3

     

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